%chk=000130842.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130842

0 1
 O   -5.334200      -2.228600       1.317900    
 O   -2.371200      0.2076000      0.9600000    
 O   -4.952500      -1.570000     -0.8307000    
 O  -0.3840000      0.3711000      -1.950100    
 O   0.9890000      -1.127100       1.447800    
 N   -4.388700      0.9350000      8.9800000E-02
 N  -0.9165000       1.878900     -0.2622000    
 N    1.861700     -0.3104000     -0.5397000    
 C   -5.240300      8.3300002E-02  0.9096000    
 C   -6.638400      0.6711000      0.7564000    
 C   -6.609000       1.298200     -0.6353000    
 C   -5.186100       1.823100     -0.7522000    
 C   -3.011100      0.9749000      0.2389000    
 C   -5.154300      -1.302600      0.3446000    
 C   -2.301300       2.036200     -0.5633000    
 C    1.361500       1.034500     -0.4047000    
 C  -4.9199998E-02   1.051100     -0.9825000    
 C    2.245900       2.056500      -1.128200    
 C    3.483200       2.417100     -0.3430000    
 C    1.629400      -1.292700      0.4130000    
 C    3.438800       3.479700      0.5460000    
 C    4.642700       1.679400     -0.5248000    
 C    2.235300      -2.621200      0.1392000    
 C    4.582600       3.813100       1.271400    
 C    5.786500       2.012600      0.2008000    
 C    5.756400       3.079400       1.099100    
 C    2.546400      -3.443200       1.202400    
 C    2.467300      -2.990300      -1.169400    
 C    3.114900      -4.690600      0.9451000    
 C    3.035700      -4.237900      -1.426700    
 C    3.359500      -5.088100     -0.3695000    
 H   -4.879200      8.8600002E-02   1.943600    
 H   -6.793800       1.458100       1.504500    
 H   -7.440100     -6.6000000E-02  0.8613000    
 H   -7.358400       2.084200     -0.7639000    
 H   -6.791000      0.5292000      -1.395400    
 H   -5.101700       2.837600     -0.3479000    
 H   -4.818000       1.816900      -1.781800    
 H   -2.474500       1.890700      -1.632600    
 H   -2.617400       3.033100     -0.2468000    
 H    1.304300       1.270000      0.6658000    
 H  -0.5499000       2.396600      0.5313000    
 H    2.531800       1.690700      -2.123900    
 H    1.676900       2.977000      -1.318900    
 H   -5.282900      -3.143300      0.9674000    
 H    2.424300     -0.5080000      -1.359700    
 H    2.528800       4.055200      0.6893000    
 H    4.677200      0.8472000      -1.221900    
 H    4.559100       4.643300       1.971300    
 H    6.700400       1.441400      6.6600002E-02
 H    6.646800       3.338700       1.664200    
 H    2.367000      -3.146900       2.231500    
 H    2.196300      -2.377000      -2.022200    
 H    3.368000      -5.352500       1.768200    
 H    3.218300      -4.551500      -2.450500    
 H    3.800500      -6.060300     -0.5697000    


%chk=000130842-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000130842

0 1
O -6.854653 1.186241 3.167373
O -3.245713 1.356821 1.591504
O -6.165292 -0.637597 1.898000
O -0.292097 -0.207601 -1.995639
O 3.019959 -1.289169 1.344524
N -4.953833 1.179444 0.033148
N -1.331662 0.514597 -0.050962
N 2.048641 -0.643725 -0.667872
C -5.965963 1.673131 0.987727
C -7.191058 1.971290 0.074602
C -7.060477 0.913023 -1.051411
C -5.533350 0.810243 -1.287627
C -3.645142 1.041156 0.421686
C -6.300565 0.595541 2.029490
C -2.671602 0.486433 -0.627180
C 1.135137 0.325749 -0.066255
C -0.224910 0.172840 -0.778978
C 1.626956 1.810516 -0.239365
C 2.973041 2.077142 0.411335
C 2.901268 -1.433225 0.085372
C 3.055729 2.450005 1.776941
C 4.174340 1.941559 -0.329064
C 3.692213 -2.471362 -0.673530
C 4.306588 2.676272 2.390921
C 5.428993 2.165656 0.280944
C 5.499236 2.533378 1.644040
C 4.854066 -2.988939 -0.046528
C 3.314964 -2.965138 -1.950257
C 5.639179 -3.966969 -0.691264
C 4.098259 -3.949339 -2.592648
C 5.265185 -4.448277 -1.968668
H -5.601508 2.561645 1.527437
H -7.091019 2.993195 -0.332786
H -8.145147 1.911752 0.622063
H -7.601032 1.200050 -1.967963
H -7.451679 -0.059882 -0.707214
H -5.194414 1.519238 -2.068730
H -5.227999 -0.208366 -1.585232
H -2.959043 -0.548095 -0.906192
H -2.705694 1.079119 -1.562460
H 1.067345 0.092926 1.012237
H -1.292175 0.792306 0.938867
H 1.671350 2.021036 -1.324957
H 0.852124 2.472278 0.193994
H -7.080185 0.482781 3.834685
H 1.909117 -0.802848 -1.669817
H 2.135543 2.558241 2.365420
H 4.125473 1.656946 -1.387122
H 4.352719 2.960764 3.448307
H 6.348503 2.053451 -0.304939
H 6.471469 2.706944 2.119188
H 5.111138 -2.609965 0.947953
H 2.395799 -2.621226 -2.440269
H 6.538310 -4.355811 -0.200573
H 3.794286 -4.332067 -3.573253
H 5.872083 -5.211008 -2.469502


